| Title : Inhibition of soluble epoxide hydrolase by phytochemical constituents of the root bark of Ulmus davidiana var. japonica - Kim_2021_J.Enzyme.Inhib.Med.Chem_36_1049 |
| Author(s) : Kim JH , Park JS , Lee YJ , Choi S , Kim YH , Yang SY |
| Ref : J Enzyme Inhib Med Chem , 36 :1049 , 2021 |
| Abstract : A novel compound 1 and nine known compounds (2-10) were isolated by open column chromatography analysis of the root bark of Ulmus davidiana. Pure compounds (1-10) were tested in vitro to determine the inhibitory activity of the catalytic reaction of soluble epoxide hydrolase (sEH). Compounds 1, 2, 4, 6-8, and 10 had IC(50) values ranging from 11.4 +/- 2.3 to 36.9 +/- 2.6 microM. We used molecular docking to simulate inhibitor binding of each compound and estimated the binding pose of the catalytic site of sEH. From this analysis, the compound 2 was revealed to be a potential inhibitor of sEH in vitro and in silico. Additionally, molecular dynamics (MD) study was performed to find detailed interaction signals of inhibitor 2 with enzyme. Finally, compound 2 is promising candidates for the development of a new sEH inhibitor from natural plants. |
| ESTHER : Kim_2021_J.Enzyme.Inhib.Med.Chem_36_1049 |
| PubMedSearch : Kim_2021_J.Enzyme.Inhib.Med.Chem_36_1049 |
| PubMedID: 34000951 |
Kim JH, Park JS, Lee YJ, Choi S, Kim YH, Yang SY (2021)
Inhibition of soluble epoxide hydrolase by phytochemical constituents of the root bark of Ulmus davidiana var. japonica
J Enzyme Inhib Med Chem
36 :1049
Kim JH, Park JS, Lee YJ, Choi S, Kim YH, Yang SY (2021)
J Enzyme Inhib Med Chem
36 :1049